UCSF

ZINC42476994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.23 0.48 -91.82 5 4 2 61 173.26 2
Hi High (pH 8-9.5) -1.04 -1.88 -49.63 4 4 1 67 172.252 2
Hi High (pH 8-9.5) -1.04 -2.26 -42.31 3 4 0 66 171.244 2
Hi High (pH 8-9.5) -1.23 0.16 -41.58 4 4 1 60 172.252 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )